4,5-difluoro-2-hydroxybenzoic acid

C7H4F2O3 — CID 12040832

IUPAC4,5-difluoro-2-hydroxybenzoic acid
SMILESO=C(O)c1cc(F)c(F)cc1O
InChIInChI=1S/C7H4F2O3/c8-4-1-3(7(11)12)6(10)2-5(4)9/h1-2,10H,(H,11,12)
InChIKeyLQPQOESULBOBBB-UHFFFAOYSA-N
MW174.10 g/mol
LogP1.37
Rot. Bonds1

About 4,5-difluoro-2-hydroxybenzoic acid

4,5-difluoro-2-hydroxybenzoic acid (PubChem CID 12040832) has the molecular formula C7H4F2O3 and a molecular weight of 174.10 g/mol. Its IUPAC name is 4,5-difluoro-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4,5-difluoro-2-hydroxybenzoic acid
PubChem CID12040832
Molecular FormulaC7H4F2O3
Molecular Weight174.10 g/mol
Exact Mass174.01
IUPAC Name4,5-difluoro-2-hydroxybenzoic acid
SMILESO=C(O)c1cc(F)c(F)cc1O
InChIInChI=1S/C7H4F2O3/c8-4-1-3(7(11)12)6(10)2-5(4)9/h1-2,10H,(H,11,12)
InChIKeyLQPQOESULBOBBB-UHFFFAOYSA-N
XLogP1.37
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.10
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-4-formyl-2-hydroxybenzoic acid
CID 170993880
CID 172784976
CID 172784976
sodium 2,4,5-trihydroxybenzoic acid
CID 54609951
5-fluorobenzene-1,2,4-tricarboxylic acid
CID 139956779
4-bromo-5-fluoro-2-hydroxybenzoic acid;iodoethane
CID 175531918
4,5-difluoro-2-iodobenzoic acid
CID 14997472
4-(3,4-difluorophenyl)-2-hydroxybenzoic acid
CID 53225879
5-amino-2-fluoro-4-hydroxybenzoic acid
CID 84653970
2-chloro-4,5-difluorobenzoic acid;hydrochloride
CID 67860765
5-(2-aminoethyl)-2,4-dihydroxybenzoic acid
CID 117286645
2,3,4,5-tetrafluorobenzoic acid;tetrahydrofluoride
CID 175062708
4-(4,5-dicarboxy-2-fluorobenzoyl)-5-fluorophthalic acid
CID 67941508

Frequently Asked Questions

What is the IUPAC name of 4,5-difluoro-2-hydroxybenzoic acid?
The IUPAC name of 4,5-difluoro-2-hydroxybenzoic acid (CID 12040832) is 4,5-difluoro-2-hydroxybenzoic acid.
What is the SMILES notation for 4,5-difluoro-2-hydroxybenzoic acid?
The canonical SMILES for 4,5-difluoro-2-hydroxybenzoic acid is O=C(O)c1cc(F)c(F)cc1O.
What is the InChIKey of 4,5-difluoro-2-hydroxybenzoic acid?
The InChIKey is LQPQOESULBOBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F2O3/c8-4-1-3(7(11)12)6(10)2-5(4)9/h1-2,10H,(H,11,12).
What are the key properties of 4,5-difluoro-2-hydroxybenzoic acid?
4,5-difluoro-2-hydroxybenzoic acid has a molecular weight of 174.10 g/mol, XLogP of 1.37, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-difluoro-2-hydroxybenzoic acid is sourced from PubChem (CID 12040832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).